1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine

C17H31NO — CID 105008151

IUPAC1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(COCC)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-3-18-16(12-19-4-2)11-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-16,18H,3-12H2,1-2H3
InChIKeyMAKHRCLROUDSDM-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.61
Rot. Bonds7

About 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine

1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine (PubChem CID 105008151) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine
PubChem CID105008151
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(COCC)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-3-18-16(12-19-4-2)11-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-16,18H,3-12H2,1-2H3
InChIKeyMAKHRCLROUDSDM-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine
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1-(1-adamantyl)-N-ethyl-3-methylhexan-2-amine
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1-(1,3-dioxolan-2-yl)-3-ethoxy-N-ethylpropan-2-amine
CID 103546949
carbonic acid;1-(2-ethoxyethyl)adamantane
CID 70179289
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine
CID 105039623
1-(1-adamantyl)-N-propylhept-5-yn-2-amine
CID 105037455
2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 107139110
1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine
CID 105007902
1-(1-adamantyl)propan-2-ol
CID 5154050
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine (CID 105008151) is 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine is CCNC(COCC)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine?
The InChIKey is MAKHRCLROUDSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-18-16(12-19-4-2)11-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine?
1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 105008151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).